Information card for entry 7009116

Structure parameters

• Common name: [Au(Hdamp-C1)(apphtsc)]Cl2 x 2MeOH
• Chemical name: [Au(Hdamp-C1)(2-AcetylpyridinPhenyltsc)]Cl2*2MeOH
• Formula: C25 H34 Au Cl2 N5 O2 S
• Calculated formula: C25 H34 Au Cl2 N5 O2 S
• SMILES: [Au]12([n]3c(C(=[N]2N=C(S1)Nc1ccccc1)C)cccc3)c1ccccc1C[NH+](C)C.[Cl-].[Cl-].CO.OC
• Title of publication: Gold complexes with thiosemicarbazones: reactions of bi- and tridentate thiosemicarbazones with dichloro[2-(dimethylaminomethyl)phenyl-C 1,N ]gold(III), [Au(damp-C 1,N )Cl2]
• Authors of publication: Abram, Ulrich; Ortner, Kirstin; Gust, Ronald; Sommer, Klaus
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 735
• a: 13.943 ± 0.003 Å
• b: 13.41 ± 0.004 Å
• c: 15.292 ± 0.003 Å
• α: 90°
• β: 100.05 ± 0.02°
• γ: 90°
• Cell volume: 2815.4 ± 1.2 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No